Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | XBP1 | P17861 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12450325 | 0.94 | CYP1A2 (0.42) | CYP1A2TSHRADORA3ADORA2AADORA2B | |
| SCHEMBL827727 | 0.89 | CYP1A2 (0.42) | CYP1A2TSHRADORA3ADORA2AADORA2B | |
| SCHEMBL2343983 | 0.88 | ADORA3 (0.38) | CYP1A2ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL827495 | 0.87 | CYP1A2 (0.43) | CYP1A2TSHRADORA3ADORA2AADORA2B | |
| SCHEMBL2343141 | 0.82 | ADORA3 (0.41) | CYP1A2ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL827698 | 0.78 | CYP1A2 (0.41) | CYP1A2ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL827708 | 0.77 | CYP1A2 (0.42) | CYP1A2ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL827578 | 0.76 | CYP1A2 (0.41) | CYP1A2ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL827668 | 0.74 | CYP1A2 (0.38) | CYP1A2ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL827982 | 0.72 | CYP1A2 (0.39) | CYP1A2ADORA3ADORA2AADORA2BADORA1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8404851-B2 | 1,3,5-trisubstituted triazole derivative | JANSSEN PHARMACEUTICA NV (BE) | 2013-03-26 | — | — | US | disclosed |
| US-8404851-B2 | 1,3,5-trisubstituted triazole derivative | JANSSEN PHARMACEUTICA NV (BE) | 2013-03-26 | — | — | US | disclosed |
| US-8404851-B2 | 1,3,5-trisubstituted triazole derivative | JANSSEN PHARMACEUTICA NV (BE) | 2013-03-26 | — | — | US | disclosed |
| EP-2205594-B1 | 1,3,5-TRISUBSTITUTED TRIAZOLE DERIVATIVE | JANSSEN PHARMACEUTICA NV (BE) | 2011-08-31 | — | — | EP | disclosed |
| EP-2205594-B1 | 1,3,5-TRISUBSTITUTED TRIAZOLE DERIVATIVE | JANSSEN PHARMACEUTICA NV (BE) | 2011-08-31 | — | — | EP | disclosed |
| US-20100240707-A1 | 1,3,5-TRISUBSTITUTED TRIAZOLE DERIVATIVE | JANSSEN PHARMACEUTICA NV | 2010-09-23 | — | — | US | disclosed |
| US-20100240707-A1 | 1,3,5-TRISUBSTITUTED TRIAZOLE DERIVATIVE | JANSSEN PHARMACEUTICA NV | 2010-09-23 | — | — | US | disclosed |
| US-20100240707-A1 | 1,3,5-TRISUBSTITUTED TRIAZOLE DERIVATIVE | JANSSEN PHARMACEUTICA NV | 2010-09-23 | — | — | US | disclosed |
| EP-2205594-A1 | 1,3,5-TRISUBSTITUTED TRIAZOLE DERIVATIVE | Janssen Pharmaceutica, N.V. (BE) | 2010-07-14 | — | — | EP | disclosed |
| WO-2009050185-A1 | 1,3,5-TRISUBSTITUTED TRIAZOLE DERIVATIVE | JANSSEN PHARMACEUTICA NV (BE) | 2009-04-23 | — | — | WO | disclosed |
| WO-2009050185-A1 | 1,3,5-TRISUBSTITUTED TRIAZOLE DERIVATIVE | JANSSEN PHARMACEUTICA NV (BE) | 2009-04-23 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100240707-A1 | 1,3,5-TRISUBSTITUTED TRIAZOLE DERIVATIVE | CHRNA1, CHRNA5, CHRNA3 | CYP1A2 1007/4885TSHR 257/4885ADORA3 27/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.